SCHEMBL3285609

SCHEMBL3285609

C=C(CN(CCC)CCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3278442 0.87 CA12 (0.42) CA12CA9TDP1KDM4EALOX15
SCHEMBL3278725 0.84 KDM5A (0.42) TDP1ALOX15TSHRAPPALDH1A1
SCHEMBL3282916 0.84 KDM5A (0.42) TDP1ALOX15TSHRAPPALDH1A1
SCHEMBL3285695 0.84 KDM5A (0.42) TDP1ALOX15TSHRAPPALDH1A1
SCHEMBL676069 0.81 ALDH1A1 (0.37) TDP1KDM4EALOX15LMNACHRM2
SCHEMBL635274 0.80 CA12 (0.37) CA12CA9CA2KDM4EDRD3
SCHEMBL23735948 0.80 CA12 (0.37) CA12CA9CA2TDP1KDM4E
SCHEMBL11410925 0.79 ALOX15 (0.45) TDP1KDM4EALOX15TSHRLMNA
Itaconate SCHEMBL5874369 0.78 ALOX15 (0.52) CA12CA9CA2TDP1ALOX15
Itaconate SCHEMBL5874376 0.78 ALOX15 (0.52) CA12CA9CA2TDP1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US claimed
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed